SCHEMBL21453736

SCHEMBL21453736

Cc1cnn(CCC2CCOCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.39
BRD4 O60885 3/20 0.37
BAZ2A Q9UIF9 2/20 0.37
JAK2 O60674 2/20 0.36
ENPP2 Q13822 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
STAT3 P40763 1/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
GAA P10253 3/20 0.34
KMT2A Q03164 1/20 0.34
KAT5 Q92993 1/20 0.34
IKBKE Q14164 2/20 0.34
TBK1 Q9UHD2 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25078511 0.89 ENPP2 (0.39) JAK3JAK2ENPP2JAK1TYK2
SCHEMBL6937715 0.84 JAK2 (0.42) JAK3BRD4BAZ2AJAK2JAK1
SCHEMBL17918650 0.83 ACHE (0.44) ENPP2GAAKMT2ALMNAHTT
SCHEMBL21566466 0.82 LIPC (0.36) JAK3BRD4BAZ2AJAK2JAK1
SCHEMBL21419214 0.82 LIPC (0.36) JAK3BRD4BAZ2AJAK2JAK1
SCHEMBL16401518 0.81 HRH3 (0.39) JAK3BRD4JAK2ENPP2JAK1
SCHEMBL1662611 0.81 JAK3 (0.37) JAK3BRD4BAZ2AJAK2JAK1
Hydrochloric Acid SCHEMBL28516962 0.81 JAK3 (0.44) JAK3BRD4BAZ2AJAK2JAK1
SCHEMBL23036822 0.79 GABRA1 (0.38) JAK3BRD4BAZ2AJAK2JAK1
SCHEMBL21285243 0.78 SCD (0.46) JAK3JAK2JAK1TYK2CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023235433-A1 BICYCLIC INHIBITORS OF IRAK RIGEL PHARMACEUTICALS, INC. (US) 2023-12-07 WO disclosed
WO-2019195846-A1 IMIDAZOPIPERAZINONE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-10 WO disclosed